[(4R)-4-(2,5-dimethylphenyl)-4-(2-propan-2-ylphenoxy)butyl]azanium

Systemtic Name: [(4R)-4-(2,5-dimethylphenyl)-4-(2-propan-2-ylphenoxy)butyl]azanium Openeye Name: [(4R)-4-(2,5-dimethylphenyl)-4-(2-isopropylphenoxy)butyl]ammonium CAS Name: [(4R)-4-(2,5-dimethylphenyl)-4-(2-propan-2-ylphenoxy)butyl]ammonium IUPAC Name: [(4R)-4-(2,5-dimethylphenyl)-4-(2-propan-2-ylphenoxy)butyl]azanium Traditional Name: [(4R)-4-(2,5-dimethylphenyl)-4-(2-isopropylphenoxy)butyl]ammonium Formula: C21H30NO+ MolecularWeight: 312.469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(CCC[NH3+])OC2=CC=CC=C2C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@@H](CCC[NH3+])OC2=CC=CC=C2C(C)C

InChI

InChI=1S/C21H29NO/c1-15(2)18-8-5-6-9-20(18)23-21(10-7-13-22)19-14-16(3)11-12-17(19)4/h5-6,8-9,11-12,14-15,21H,7,10,13,22H2,1-4H3/p+1/t21-/m1/s1